[(E)-[3-(3-oxobenzo[f]chromen-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]thiourea

Formula:C24H17N5O2S Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[3-(3-oxobenzo[f]chromen-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]thiourea is a drug-like molecule.

MolName	[(E)-[3-(3-oxobenzo[f]chromen-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]thiourea
MolecularFormula	C24H17N5O2S
Smiles	NC(N/N=C/c1cn(-c2ccccc2)nc1C1=Cc(c2ccccc2cc2)c2OC1=O)=S
InChI	InChI=1S/C24H17N5O2S/c25-24(32)27-26-13-16-14-29(17-7-2-1-3-8-17)28-22(16)20-12-19-18-9-5-4-6-15(18)10-11-21(19)31-23(20)30/h1-14H,(H3,25,27,32)
InChIK	STXFKTRMXFRJIO-UHFFFAOYSA-N
TotalMolweight	439.498
Molweight	439.498
MonoisotopicMass	439.110295
CLogP	3.0422
CLogS	-5.974
H Acceptors	7
H Donors	2
TotalSurfaceArea	331.75
Relative PSA	0.32289
PolarSurfaceArea	126.62
Druglikeness	4.3378
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.4375
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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